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63996-36-1 | 2-(4-Bromophenyl)pyridine
CAS No: 63996-36-1 Catalog No: AG003EVD MDL No:MFCD04116231
Product Description
Catalog Number:
AG003EVD
Chemical Name:
2-(4-Bromophenyl)pyridine
CAS Number:
63996-36-1
Molecular Formula:
C11H8BrN
Molecular Weight:
234.0919
MDL Number:
MFCD04116231
IUPAC Name:
2-(4-bromophenyl)pyridine
InChI:
InChI=1S/C11H8BrN/c12-10-6-4-9(5-7-10)11-3-1-2-8-13-11/h1-8H
InChI Key:
FBQFCXDBCPREBP-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1ccccn1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.984g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.096g/mol
Monoisotopic Mass:
232.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| 4-(4-Bromo-phen-yl)-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo-[3,4-b]thieno[2,3-e]pyridine 5,5-dioxide. | Acta crystallographica. Section E, Structure reports online 20111201 |
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